![4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid structure](/static/products/1643/1643660-52-9.webp)
4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid
TL;DR: 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid (CAS 1643660-52-9) is a chemical compound with molecular formula C16H13N5O5 and molecular weight 355.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)amino]-4-oxobut-2-enoic acid
Also Known As: 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid, (E)-4-[(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)amino]-4-oxobut-2-enoic acid, (E)-4-((1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino)-4-oxobut-2-enoic acid, (2E)-4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxobut-2-enoic acid
| Molecular Formula | C16H13N5O5 |
|---|---|
| Molecular Weight | 355.09 g/mol |
| LogP | -0.2403 |
| Topological Polar Surface Area | 136.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.09167 |
| Heavy Atoms | 26 |
| Complexity | 1221.6311 |
Chemical Identifiers
| CAS Number | 1643660-52-9 |
|---|---|
| SMILES | CN1C2=NC3=C(C=CC(=C3)NC(=O)/C=C/C(=O)O)N=C2C(=O)N(C1=O)C |
Product Overview
4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid (CAS 1643660-52-9), with molecular formula C16H13N5O5 and molecular weight 355.09 g/mol. IUPAC: (E)-4-[(1,3-dimethyl-2,4-dioxobenzo[g]pteridin-8-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid
Property Insights of 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid
The XLogP value of -0.2403 indicates that 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid?
The CAS number of 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid is 1643660-52-9.
What is the molecular formula of 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid?
The molecular formula of 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid is C16H13N5O5.
What is the molecular weight of 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid?
The molecular weight of 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid is 355.09 g/mol.
Where can I buy 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid?
You can request a quote for 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-8-yl)amino]-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.